5-[bis(phenylmethyl)amino]-2-cyclobutyl-2-[4-(trifluoromethyl)phenyl]hexanenitrile

Systemtic Name: 5-[bis(phenylmethyl)amino]-2-cyclobutyl-2-[4-(trifluoromethyl)phenyl]hexanenitrile Openeye Name: 2-cyclobutyl-5-(dibenzylamino)-2-[4-(trifluoromethyl)phenyl]hexanenitrile CAS Name: 5-[bis(phenylmethyl)amino]-2-cyclobutyl-2-[4-(trifluoromethyl)phenyl]hexanenitrile IUPAC Name: 2-cyclobutyl-5-(dibenzylamino)-2-[4-(trifluoromethyl)phenyl]hexanenitrile Traditional Name: 2-cyclobutyl-5-(dibenzylamino)-2-[4-(trifluoromethyl)phenyl]hexanenitrile Formula: C31H33F3N2 MolecularWeight: 490.60233

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C#N)(C1CCC1)C2=CC=C(C=C2)C(F)(F)F)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(CCC(C#N)(C1CCC1)C2=CC=C(C=C2)C(F)(F)F)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C31H33F3N2/c1-24(36(21-25-9-4-2-5-10-25)22-26-11-6-3-7-12-26)19-20-30(23-35,27-13-8-14-27)28-15-17-29(18-16-28)31(32,33)34/h2-7,9-12,15-18,24,27H,8,13-14,19-22H2,1H3